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データを開く
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基本情報
登録情報 | データベース: PDB / ID: 5acn | |||||||||
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タイトル | STRUCTURE OF ACTIVATED ACONITASE. FORMATION OF THE (4FE-4S) CLUSTER IN THE CRYSTAL | |||||||||
![]() | ACONITASE | |||||||||
![]() | LYASE(CARBON-OXYGEN) | |||||||||
機能・相同性 | ![]() aconitate hydratase / aconitate hydratase activity / tricarboxylic acid cycle / 4 iron, 4 sulfur cluster binding / mitochondrion / metal ion binding / cytosol 類似検索 - 分子機能 | |||||||||
生物種 | ![]() ![]() | |||||||||
手法 | ![]() | |||||||||
![]() | Robbins, A.H. / Stout, C.D. | |||||||||
![]() | ![]() タイトル: Structure of activated aconitase: formation of the [4Fe-4S] cluster in the crystal. 著者: Robbins, A.H. / Stout, C.D. #2: ![]() タイトル: Iron-Sulfur Cluster in Aconitase. Crystallographic Evidence for a Three-Iron Center 著者: Robbins, A.H. / Stout, C.D. | |||||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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ダウンロードとリンク
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ダウンロード
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その他 | ![]() |
-検証レポート
文書・要旨 | ![]() | 415.3 KB | 表示 | ![]() |
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文書・詳細版 | ![]() | 438 KB | 表示 | |
XML形式データ | ![]() | 18.7 KB | 表示 | |
CIF形式データ | ![]() | 30.2 KB | 表示 | |
アーカイブディレクトリ | ![]() ![]() | HTTPS FTP |
-関連構造データ
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リンク
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集合体
登録構造単位 | ![]()
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単位格子 |
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Atom site foot note | 1: RESIDUE 325 IS A CIS PROLINE. 2: THE DENSITY FOR THE FOLLOWING REGIONS IS WEAK AND THE FINAL REBUILDING STEPS USED STEREOCHEMICAL CONSIDERATIONS -N-TERMINAL PCA ILE 433 THROUGH GLU 437 THR 488 THROUGH LYS 494 LYS 522 THROUGH GLN ...2: THE DENSITY FOR THE FOLLOWING REGIONS IS WEAK AND THE FINAL REBUILDING STEPS USED STEREOCHEMICAL CONSIDERATIONS -N-TERMINAL PCA ILE 433 THROUGH GLU 437 THR 488 THROUGH LYS 494 LYS 522 THROUGH GLN 527 C-TERMINAL GLN 752 THROUGH LYS 754 3: RESIDUE 647 IS ARG FROM THE DNA SEQUENCE, (H. ZALKIN, PRIVATE COMMUNICATION) BUT CANNOT BE ACCOMODATED AS SUCH IN THE STRUCTURE. IT HAS BEEN MODELLED AS SER, BASED ON THE EXTENT OF THE SIDE CHAIN DENSITY. |
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要素
#1: タンパク質 | 分子量: 82789.047 Da / 分子数: 1 / 由来タイプ: 組換発現 / 由来: (組換発現) ![]() ![]() |
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#2: 化合物 | ChemComp-SO4 / |
#3: 化合物 | ChemComp-F3S / |
#4: 化合物 | ChemComp-TRC / |
#5: 水 | ChemComp-HOH / |
構成要素の詳細 | THE STRUCTURE CONSISTS OF FOUR DOMAINS, THE FIRST THREE ARE TIGHTLY ASSOCIATED AND THE FOURTH ...THE STRUCTURE CONSISTS OF FOUR DOMAINS, THE FIRST THREE ARE TIGHTLY ASSOCIATED |
-実験情報
-実験
実験 | 手法: ![]() |
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試料調製
結晶 | マシュー密度: 2.74 Å3/Da / 溶媒含有率: 55.15 % | |||||||||||||||||||||||||
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結晶化 | *PLUS 温度: 22 ℃ / pH: 7 / 手法: 蒸気拡散法 / 詳細: referred to J.Biol.Chem. 257.9061-9063 | |||||||||||||||||||||||||
溶液の組成 | *PLUS
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-データ収集
反射 | *PLUS 最高解像度: 2.1 Å / Num. obs: 47583 / Num. measured all: 350360 / Rmerge(I) obs: 0.106 |
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解析
ソフトウェア | 名称: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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精密化 | 解像度: 2.1→5 Å / Rfactor Rwork: 0.215 詳細: RESIDUE 647 IS ARG FROM THE DNA SEQUENCE, (H. ZALKIN, PRIVATE COMMUNICATION) BUT CANNOT BE ACCOMODATED AS SUCH IN THE STRUCTURE. IT HAS BEEN MODELLED AS SER, BASED ON THE EXTENT OF THE SIDE ...詳細: RESIDUE 647 IS ARG FROM THE DNA SEQUENCE, (H. ZALKIN, PRIVATE COMMUNICATION) BUT CANNOT BE ACCOMODATED AS SUCH IN THE STRUCTURE. IT HAS BEEN MODELLED AS SER, BASED ON THE EXTENT OF THE SIDE CHAIN DENSITY. SUBSEQUENT TO PUBLICATION, THE N-TERMINUS HAS BEEN SHOWN TO BE PCA, WHICH REQUIRES THAT ALL SEQUENCE NUMBERS BE REDUCED BY ONE. THUS, THE CYSTEINE LIGANDS TO THE FE4S4 CLUSTER ARE 358, 421, AND 424, RATHER THAN THE PUBLISHED 359,422 AND 425. THE SEQUENCE NUMBERS USED IN THIS ENTRY REFLECT THE N-TERMINAL PCA. THE DENSITY FOR THE FOLLOWING REGIONS IS WEAK AND THE FINAL REBUILDING STEPS USED STEREOCHEMICAL CONSIDERATIONS -N-TERMINAL PCA ILE 433 THROUGH GLU 437 THR 488 THROUGH LYS 494 LYS 522 THROUGH GLN 527 C-TERMINAL GLN 752 THROUGH LYS 754 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
精密化ステップ | サイクル: LAST / 解像度: 2.1→5 Å
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拘束条件 |
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精密化 | *PLUS 最高解像度: 2.1 Å / 最低解像度: 5 Å / Num. reflection all: 43288 / σ(F): 0 / Rfactor all: 0.215 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
溶媒の処理 | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
原子変位パラメータ | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
拘束条件 | *PLUS タイプ: x_angle_d / Dev ideal: 3.5 |